Reaction Details Report a problem with these data
Target
Epoxide hydrolase 1
Ligand
BDBM100420
Substrate
n/a
Meas. Tech.
Inhibition Assay
IC50
28.3±0.0 nM
Citation
 Hammock, BD; Jones, PD; Morisseau, C; Huang, H; Tsai, H; Gless, Jr., R Conformationally restricted urea inhibitors of soluble epoxide hydrolase US Patent  US8501783 Publication Date 8/6/2013 
Target
Name:
Epoxide hydrolase 1
Synonyms:
EPHX | EPHX1 | EPOX | Epoxide hydrolase (EH) | Epoxide hydrolase (HsEH) | Epoxide hydrolase 1 | HYEP_HUMAN | Microsomal epoxide hydrolase
Type:
Protein
Mol. Mass.:
52954.28
Organism:
Homo sapiens (Human)
Description:
P07099
Residue:
455
Sequence:
MWLEILLTSVLGFAIYWFISRDKEETLPLEDGWWGPGTRSAAREDDSIRPFKVETSDEEIHDLHQRIDKFRFTPPLEDSCFHYGFNSNYLKKVISYWRNEFDWKKQVEILNRYPHFKTKIEGLDIHFIHVKPPQLPAGHTPKPLLMVHGWPGSFYEFYKIIPLLTDPKNHGLSDEHVFEVICPSIPGYGFSEASSKKGFNSVATARIFYKLMLRLGFQEFYIQGGDWGSLICTNMAQLVPSHVKGLHLNMALVLSNFSTLTLLLGQRFGRFLGLTERDVELLYPVKEKVFYSLMRESGYMHIQCTKPDTVGSALNDSPVGLAAYILEKFSTWTNTEFRYLEDGGLERKFSLDDLLTNVMLYWTTGTIISSQRFYKENLGQGWMTQKHERMKVYVPTGFSAFPFELLHTPEKWVRFKYPKLISYSYMVRGGHFAAFEEPELLAQDIRKFLSVLERQ
  
Inhibitor
Name:
BDBM100420
Synonyms:
US8501783, 1644 | US8501783, 170
Type:
Small organic molecule
Emp. Form.:
C19H27F3N2O2
Mol. Mass.:
372.4251
SMILES:
FC(F)(F)C(=O)N1CCC(CC1)NC(=O)CC12CC3CC(CC(C3)C1)C2 |TLB:25:16:23:20.19.21,15:16:19:23.22.21,THB:24:22:19:17.25.16,24:16:19:23.22.21,25:20:23:24.17.16|
Structure:
Search PDB for entries with ligand similarity: